Geometry & MOs

Info

ID:

90278

PubChem CID:

49968142

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-204.6

Dipole, Da:

3.76

IP(EA), eV:

 -8.9(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations